(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol

C16H25NO2 — CID 144623402

IUPAC(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
SMILESCCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O
InChIInChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1
InChIKeyJCUBQZVONPGRDW-WMEQCIOUSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds3

About (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol

(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol (PubChem CID 144623402) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
PubChem CID144623402
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
SMILESCCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O
InChIInChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1
InChIKeyJCUBQZVONPGRDW-WMEQCIOUSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The IUPAC name of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol (CID 144623402) is (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol.
What is the SMILES notation for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The canonical SMILES for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol is CCc1ccc(OC)cc1[C@@H]1CCN(C)C(C)C1O.
What is the InChIKey of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
The InChIKey is JCUBQZVONPGRDW-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-12-6-7-13(19-4)10-15(12)14-8-9-17(3)11(2)16(14)18/h6-7,10-11,14,16,18H,5,8-9H2,1-4H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol?
(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 144623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).